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Salinity and pH effects on water-oil-calcite interfaces by using molecular dynamics.

Anderson Arboleda-LamusLeonardo Muñoz-RugelesJorge M Del CampoNicolas Santos-SantosJulio PérezEnrique Mejía-Ospino
Published in: Physical chemistry chemical physics : PCCP (2024)
Smart water injection is a technology that allows changing the wettability of the oil rock by injecting water at different salinities, in a cheap and environmentally friendly way compared to other traditional methods. In this study, the individual effect of some typical salts on the wettability of the (104) surface of calcite toward non-polar and polar crude oil models was explored by molecular dynamics as a function of the salinity and pH. The results obtained show that the electrical double layer plays a principal role in the detachment of crude oil models. The divalent ion salts, i.e. , CaCl 2 , CaSO 4 , MgCl 2 , and MgSO 4 , do not form the electrical double layer on calcite, but salts of NaCl and Na 2 SO 4 form it. Moreover, the surface affinity of calcite to the non-polar crude oil is not affected by the salinity. However, the affinity of the calcite surface toward polar crude is affected by salinity and pH conditions. This research provides new insights into the action mechanisms that could help optimize its uses in enhanced oil recovery.
Keyphrases
  • molecular dynamics
  • ionic liquid
  • microbial community
  • fatty acid
  • density functional theory
  • capillary electrophoresis